THE DIELECTRIC-CONSTANT OF A FOLDED PROTEIN
THE DIELECTRIC-CONSTANT OF A FOLDED PROTEIN
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DOI：
10.1002/bip.360251106
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发表时间：
1986-11-01
期刊：
影响因子：
2.9
通讯作者：
HONIG, BH
中科院分区：
文献类型：
--
作者：
GILSON, MK;HONIG, BH
本文的目的是获得一个理论估计的折叠蛋白质的介电常数。为此，我们开发了一种形式的Kirkwood-Frohlich介电理论，适用于极性固体和折叠蛋白质。由此产生的理论结合了一个因子，表达偶极基团在材料结构中的约束程度，以及柯克伍德相关因子的一般形式。将该理论应用于由随机取向的α-β-葡聚糖组成的假设的各向同性蛋白质。螺旋并且偶极基团的数量密度等于实际蛋白质中发现的数量密度。利用简正模分析计算了约束因子和广义偶极相关因子。温度因子也计算正常模式分析，并在合理的协议与实验发现。计算出的介电常数较低;最佳估计值为福尔斯介于2.5和4之间。
The goal of this paper is to obtain a theoretical estimate of the dielectric constant of a folded protein. To this end, we develop a form of the Kirkwood-Frohlich dielectric theory that applies to polar solids and folded proteins. The resulting theory incorporates a factor expressing the degree to which dipolar groups are constrained within the material''s structure, as well as a generalized form of Kirkwood''s correlation factor. The theory is applied to a hypothetical isotropic protein composed of randomly oriented .alpha.-helices and having a number density of dipolar groups equal to that found in actual proteins. The factor of constraint and the generalized dipole correlation factor are calculated using normal mode analysis. Temperature factors are also computed by normal mode analysis and are in reasonable agreement with those found experimentally. The computed dielectric constant is low; the best estimate is that it falls between 2.5 and 4.